AI28661
1267101-21-2 | 2-[(Ethanesulfonyl)methyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI28661
ChemicalName
2-[(Ethanesulfonyl)methyl]benzonitrile
CasNumber
1267101-21-2
MolecularFormula
C10H11NO2S
MolecularWeight
209.2648
MdlNumber
MFCD19257799
Smiles
N#Cc1ccccc1CS(=O)(=O)CC
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AI28661
ChemicalName: 2-[(Ethanesulfonyl)methyl]benzonitrile
CasNumber: 1267101-21-2
MolecularFormula: C10H11NO2S
MolecularWeight: 209.2648
MdlNumber: MFCD19257799
Smiles: N#Cc1ccccc1CS(=O)(=O)CC
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AI28661
ChemicalName:
2-[(Ethanesulfonyl)methyl]benzonitrile
CasNumber:
1267101-21-2
MolecularFormula:
C10H11NO2S
MolecularWeight:
209.2648
MdlNumber:
MFCD19257799
Smiles:
N#Cc1ccccc1CS(=O)(=O)CC
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.2
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Smiles: COCC1(CC1)C#N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COCC1(CC1)C#N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COCCn1c(C)cc(c(c1=O)C(=O)O)C
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Smiles:
COCCn1c(C)cc(c(c1=O)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(c1c(N)sc2c1CCC2)Nc1ccccc1C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
O=C(c1c(N)sc2c1CCC2)Nc1ccccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__